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Benchmarks
Molecular Property Prediction on QM9 subset (test)
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9.01
Polarizability (Bohr^3)
Naive (U-bound)
-0.2564
2.1493
4.555
6.9607
Mar 31, 2022
Polarizability (Bohr^3)
HOMO-LUMO Gap (meV)
HOMO Energy (meV)
LUMO Energy (meV)
Dipole Moment (D)
Heat Capacity (cal/mol K)
Updated 4d ago
Evaluation Results
Method
Method
Links
Polarizability (Bohr^3)
HOMO-LUMO Gap (meV)
HOMO Energy (meV)
LUMO Energy (meV)
Dipole Moment (D)
Heat Capacity (cal/mol K)
Naive (U-bound)
description=Baselines...
2022.03
9.01
1,470
645
1,457
1.616
6.857
#Atoms
description=Predicting...
2022.03
3.86
866
426
813
1.053
1.971
EDM
mode=Conditional
2022.03
2.76
655
356
584
1.111
1.101
QM9 (L-bound)
description=Lower boun...
2022.03
0.1
64
39
36
0.043
0.04
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